T2D

1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE

Created: 2006-10-19
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count0
Bond Count23
Aromatic Bond Count6
2D diagram of T2D
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Chemical Component Summary

Name1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE
Systematic Name (OpenEye OEToolkits)1,1-dioxo-5-phenyl-1,2,5-thiadiazolidin-3-one
FormulaC8 H8 N2 O3 S
Molecular Weight212.226
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=S2(=O)NC(=O)CN2c1ccccc1
SMILESCACTVS3.341O=C1CN(c2ccccc2)[S](=O)(=O)N1
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)N2CC(=O)NS2(=O)=O
Canonical SMILESCACTVS3.341 O=C1CN(c2ccccc2)[S](=O)(=O)N1
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)N2CC(=O)NS2(=O)=O
InChIInChI1.03 InChI=1S/C8H8N2O3S/c11-8-6-10(14(12,13)9-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,11)
InChIKeyInChI1.03 LDCZCUKQWRZSDT-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB08593 
Name1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE
Groups experimental
Synonyms1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE

Drug Targets

NameTarget SequencePharmacological ActionActions
Tyrosine-protein phosphatase non-receptor type 1MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVS...unknowninhibitor
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 4369452
ChEMBL CHEMBL190801